AG01EOF5

Name: BAY 73-6691 (racemate)
Brand: Angene Chemical
SKU: AG01EOF5

794568-90-4 | BAY 73-6691 (racemate)

AG01EOF5

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WARNING This product is not for human or veterinary use.

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CAS Number	794568-90-4
Catalog Number	AG01EOF5(AGN-PC-0UELWG)
Chemical Name	BAY 73-6691 (racemate)
IUPAC Name	1-(2-chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
InChI	InChI=1S/C15H12ClF3N4O/c1-8(15(17,18)19)6-12-21-13-9(14(24)22-12)7-20-23(13)11-5-3-2-4-10(11)16/h2-5,7-8H,6H2,1H3,(H,21,22,24)
InChI Key	FFPXPXOAFQCNBS-UHFFFAOYSA-N
MDL Number	MFCD31619335
Molecular Formula	C15H12ClF3N4O
Molecular Weight	356.7302
SMILES	C1(CC(C)C(F)(F)F)=NC(=O)C2C=NN(C3=CC=CC=C3Cl)C=2N1
Synonyms	BAY 73-6691 racemate, 794568-90-4, SCHEMBL1457406, CHEMBL3671266, BDBM130503, CS-8126, HY-104028A, US8822479, 37-1, CID11175730, CID 11175730,

Complexity	527
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	356.065g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	356.733g/mol
Monoisotopic Mass	356.065g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	59.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.5

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited